(2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid

C15H17NO2S — CID 164635175

IUPAC(2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1Cc1csc2ccccc12
InChIInChI=1S/C15H17NO2S/c17-15(18)13-6-3-4-8-16(13)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,17,18)/t13-/m0/s1
InChIKeyYFWXKEOLULEYBK-ZDUSSCGKSA-N
MW275.37 g/mol
LogP3.34
Rot. Bonds3

About (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid

(2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid (PubChem CID 164635175) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid
PubChem CID164635175
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1Cc1csc2ccccc12
InChIInChI=1S/C15H17NO2S/c17-15(18)13-6-3-4-8-16(13)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,17,18)/t13-/m0/s1
InChIKeyYFWXKEOLULEYBK-ZDUSSCGKSA-N
XLogP3.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid (CID 164635175) is (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1Cc1csc2ccccc12.
What is the InChIKey of (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid?
The InChIKey is YFWXKEOLULEYBK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-15(18)13-6-3-4-8-16(13)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10,13H,3-4,6,8-9H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid?
(2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid has a molecular weight of 275.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1-benzothiophen-3-ylmethyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 164635175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).